SCHEMBL345456

SCHEMBL345456

CC(C)(C)[C@H]1C(CCOS(C)(=O)=O)CCN1C(=O)O

nearest known ligand 0.30

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MMP9 P14780 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL345455 1.00 KDM4E (0.30) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL23536522 0.86
SCHEMBL792469 0.86
SCHEMBL6399676 0.81 SLC18A3 (0.35)
SCHEMBL22371588 0.78 HCRTR2 (0.33) LMNA
SCHEMBL2582264 0.78 HCRTR2 (0.33) LMNA
SCHEMBL22371501 0.78 HCRTR2 (0.33) LMNA
SCHEMBL346228 0.78 RIPK1 (0.31)
SCHEMBL6398284 0.78 RIPK1 (0.31)
SCHEMBL344475 0.78 RIPK1 (0.31)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160046609-A1 SYNTHESIS AND NOVEL SALT FORMS OF (R)-5-((E)-2-PYRROLIDIN-3YLVINYL)PYRIMIDINE CATALYST BIOSCIENCES, INC. 2016-02-18 US disclosed
US-8604191-B2 Synthesis and novel salt forms of (R)-5-((E)-2-pyrrolidin-3YLVINYL)pyrimidine TARGACEPT, INC. (US) 2013-12-10 US disclosed
EP-2442810-A2 REVERSAL OF L-DOPA-INDUCED DYSKINESIA BY NEURONAL NICOTINIC RECEPTOR LIGANDS Targacept Inc. (US) 2012-04-25 EP disclosed
US-8153821-B2 Compounds TARGACEPT, INC. (US) 2012-04-10 US disclosed
US-20120015983-A1 Synthesis and Novel Salt Forms of (R)-3-((E)-pyrrolidin-3-yl)vinyl)-5-tetrahydropyran-4-yloxy)pyridine TARGACEPT, INC. (US) 2012-01-19 US disclosed
US-20110281895-A1 SYNTHESIS AND NOVEL SALT FORMS OF (R)-5-((E)-2-PYRROLIDIN-3YLVINYL)PYRIMIDINE TARGACEPT, INC. (US) 2011-11-17 US disclosed
US-20110269975-A1 NOVEL COMPOUNDS TARGACEPT, INC. (US) 2011-11-03 US disclosed
WO-2011112428-A2 ARYLVINYLAZACYCLOALKANE COMPOUNDS FOR CONSTIPATION TARGACEPT, INC. (US) 2011-09-15 WO disclosed
EP-2364307-A1 SYNTHESIS AND NOVEL SALT FORMS OF (R)-5-((E)-2-(PYRROLIDIN-3-YLVINYL)PYRIMIDINE Targacept Inc. (US) 2011-09-14 EP disclosed
EP-2358670-A2 Novel compounds Targacept Inc. (US) 2011-08-24 EP disclosed
EP-2358705-A1 (R) -3- (E) -2- (PYRR0LIDIN-3-YL) VINYL) -5- (TETRAHYDR0PYRAN-4-YL0XY) PYRIDINE, ITS SALTS, ITS SYNTHESIS AND ITS USE AS LIGAND FOR NICOTINIC ACETYLCHOLINERGIC RECEPTORS Targacept Inc. (US) 2011-08-24 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120015983-A1 Synthesis and Novel Salt Forms of (R)-3-((E)-pyrrolidin-3-yl)vinyl)-5-tetrahydropyran-4-yloxy)pyridine H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, REN, SRMS KDM4E 62/4885USP2 4655/4885ALDH1A1 3277/4885
US-20110269975-A1 NOVEL COMPOUNDS CHRNB2, CHRNA2, CHRNA5 KDM4E 3983/4885USP2 3226/4885ALDH1A1 2627/4885
US-20160046609-A1 SYNTHESIS AND NOVEL SALT FORMS OF (R)-5-((E)-2-PYRROLIDIN-3YLVINYL)PYRIMIDINE DPYD, DHPS, NUDT5 KDM4E 2509/4885USP2 4849/4885ALDH1A1 2248/4885
US-20110281895-A1 SYNTHESIS AND NOVEL SALT FORMS OF (R)-5-((E)-2-PYRROLIDIN-3YLVINYL)PYRIMIDINE DPYD, DHPS, NUDT5 KDM4E 2844/4885USP2 4835/4885ALDH1A1 2050/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.